General Information of the Compound
| Compound ID |
CP0523336
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| Compound Name |
US9266877, 59
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| Structure |
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| Formula |
C31H30N6O3S
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| Molecular Weight |
566.687
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| Canonical SMILES |
CC(C)(C)Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C31H30N6O3S/c1-31(2,3)18-37-16-20(15-32-37)21-11-12-26(34-27(21)29(39)40)36-14-13-19-7-6-8-22(23(19)17-36)28(38)35-30-33-24-9-4-5-10-25(24)41-30/h4-12,15-16H,13-14,17-18H2,1-3H3,(H,39,40)(H,33,35,38)
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| InChIKey |
LCCKVNXYMGVDQL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound